dc.citation.number |
24 |
- |
dc.citation.title |
APPLIED PHYSICS LETTERS |
- |
dc.citation.volume |
95 |
- |
dc.contributor.author |
Lim, Seokho |
- |
dc.contributor.author |
Park, Noejung |
- |
dc.date.accessioned |
2023-12-22T07:37:12Z |
- |
dc.date.available |
2023-12-22T07:37:12Z |
- |
dc.date.created |
2014-11-10 |
- |
dc.date.issued |
2009-12 |
- |
dc.description.abstract |
We investigated noncovalent molecular adsorptions onto carbon nanotubes (CNTs), using density-functional theory methods including recently developed hybrid functionals. Planar aromatic molecules have greater binding strength than fully saturated nonaromatic molecules, and adsorption geometries are consistent with the features of intermolecular π -π stacking. We show that modifications with alcohol or a thiol terminal group increase the adsorption strength consistently throughout the considered molecules. This result may be used in experiments involving noncovalent sidewall functionalizations of CNTs. |
- |
dc.identifier.bibliographicCitation |
APPLIED PHYSICS LETTERS, v.95, no.24 |
- |
dc.identifier.doi |
10.1063/1.3274041 |
- |
dc.identifier.issn |
0003-6951 |
- |
dc.identifier.scopusid |
2-s2.0-77956138978 |
- |
dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/8493 |
- |
dc.identifier.url |
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=77956138978 |
- |
dc.identifier.wosid |
000272954900057 |
- |
dc.language |
영어 |
- |
dc.publisher |
AMER INST PHYSICS |
- |
dc.title |
Ab initio study of noncovalent sidewall functionalization of carbon nanotubes |
- |
dc.type |
Article |
- |
dc.description.journalRegisteredClass |
scopus |
- |